SCHEMBL17447192

SCHEMBL17447192

COc1cccc2c(C(C)C)c3cccc(OC)c3cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NQO1 P15559 1/20 0.45
IDO1 P14902 1/20 0.42
KDM4E B2RXH2 2/20 0.41
EP300 Q09472 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 1/20 0.40
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
ACHE P22303 1/20 0.39
PLAU P00749 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4196251 0.84 IDO1 (0.47) HDAC4HDAC8NQO1IDO1KDM4E
SCHEMBL357145 0.80 CA1 (0.61) NQO1IDO1KDM4EEP300KAT8
SCHEMBL31116611 0.80 CA1 (0.61) NQO1IDO1KDM4EEP300KAT8
SCHEMBL9814047 0.78 KDM4E (0.53) HDAC4HDAC8KDM4ECA1CA2
SCHEMBL17448503 0.77 NQO1 (0.50) NQO1IDO1KDM4EEP300KAT8
Bromide SCHEMBL28922144 0.76 KDM4E (0.51) HDAC4HDAC8KDM4ECA1CA2
SCHEMBL12473426 0.75 CA1 (0.55) NQO1IDO1KDM4EEP300KAT8
SCHEMBL15772943 0.75 IDO1 (0.45) HDAC4HDAC8IDO1KDM4EEP300
SCHEMBL2226259 0.75 NQO1 (0.48) HDAC4HDAC8NQO1IDO1KDM4E
Chloromethane SCHEMBL27930402 0.74 KDM4E (0.50) HDAC4HDAC8KDM4ECA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B HDAC4 2775/4885HDAC8 3199/4885NQO1 1729/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.